SCHEMBL5232201

SCHEMBL5232201

COc1cccc([N+](=O)[O-])c1NC(=O)c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 7/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
PDE4D Q08499 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNMA1 Q12791 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3718734 0.89 MAPT (0.52) ALDH1A1MAPTRAB9APOLBTDP1
SCHEMBL5236410 0.84 KCNMA1 (0.48) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL5233088 0.83 KCNMA1 (0.62) ALDH1A1MAPTRAB9APOLBTDP1
SCHEMBL5115395 0.81 ALDH1A1 (0.56) ALDH1A1MAPTRAB9APOLBTDP1
SCHEMBL5115398 0.81 ALDH1A1 (0.56) ALDH1A1MAPTRAB9APOLBTDP1
SCHEMBL3449044 0.81 ALDH1A1 (0.56) ALDH1A1MAPTRAB9APOLBTDP1
SCHEMBL5234546 0.81 KCNMA1 (0.44) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL22499474 0.79 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ATDP1KMT2A
SCHEMBL4728329 0.79 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ATDP1KMT2A
SCHEMBL4299417 0.78 PDE4D (0.58) ALDH1A1POLBTDP1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210336-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US HEALTH (US) 2007-04-25 EP disclosed
US-6894068-B2 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-17 US disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
EP-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 EP disclosed
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 US disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 WO disclosed
EP-0963371-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP ALDH1A1 435/4885MAPT 2190/4885RAB9A 4475/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.